TARIS-BuildIsosurface.cpp

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/***************************************************************************
 *   Copyright (C) 2007 by Universidad Nacional de Colombia                *
 *   http://www.unal.edu.co                                                *
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 *   it under the terms of the GNU General Public License as published by  *
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#ifdef HAVE_CONFIG_H
#include <config.h>
#endif

#include <iostream>
#include <string>
#include <cstdlib>
using namespace std;

#include <HyperSurface.h>
#include <Surface.h>
#include <TarisApplication.h>
#include <Tree.h>
#include <vector>

namespace Programs{

class TARIS_BuildIsosurface{
        public:
                static string usage()
                {
                        system("clear") ;
                        return
                        "===================================\n"
                        "TARIS-BuildIsosurface (" __DATE__ ")\n"
                        "===================================\n"
                        "\n"
                        "Produces files in OOGL format containing the information that allows \n"
                        "to visualize an isopotential surface for a given cutoff, from the .cube\n"
                        "file. The OOGL files can be visualized with the \"geomview\" program:\n"
                        "(http://www.geom.uiuc.edu/software/geomview/)\n"
                        "\n"
                        "Syntax:\n"
                        "   $ TARIS-BuildIsosurface -c file [PARAMETERS]\n"
                        "\n"
                        "Required parameters:\n"
                        "   -c   file\n"
                        "           This is the name of the cube file containing the electrostatic\n"
                        "           potential data\n"
                        "\n"
                        "Optional parameters:\n"
                        "   -b   cutoff\n"
                        "           Potential value for the surface calculation potential data\n"
                        "           (default=-0.07)\n"
                        "   -o   output\n"
                        "           Name of the oogl output file\n"
                        "           (default=screen)\n"
                        "\n"
                        "For example:\n"
                        "   $ TARIS-BuildIsosurface -c file.cube -b -0.1 -o file.oogl\n"
                        "   $ geomview -nopanels file.oogl\n"
                        "\n"
                        "Authors:\n"
                        "   Nestor F. Aguirre, Ray M. Marin and Edgar E. Daza\n"
                        "   Universidad Nacional de Colombia\n"
                        ;
                }
                
                static int main( int argc, char **argv )
                {
                        
                        if( argc > 1 ){
                                
                                string cubeFileName = TarisApplication::extractParameter( argc, argv, "-c" ) ;
                                double cutoff = atof( TarisApplication::extractParameter( argc, argv, "-b", "-0.07" ) ) ;
                                string outputFileName = TarisApplication::extractParameter( argc, argv, "-o", "screen" ) ;
                                
                                HyperSurface hs ;
                                hs.load( cubeFileName ) ;
                                
                                Surface output = hs.getIsosurface( cutoff ) ;
                                
                                if( outputFileName == "screen" ){
                                        output.printOogl( cout ) ;
                                }else{
                                        ofstream file( outputFileName.c_str() ) ;
                                        output.printOogl( file ) ;
                                        file.close() ;
                                }
                                
                        }else{
                                cout << usage() << endl ;
                        }
                        
                        return EXIT_SUCCESS;
                }
};

}

int main( int argc, char **argv )
{
        return Programs::TARIS_BuildIsosurface::main( argc, argv ) ;
}

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